! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -1.3775763351  -2.0198220650  -1.3380566673
F    1.8953291650   5.7468821470   0.5546853957
F    3.8417567551   6.1696923744  -0.2825336027
F    3.9500166980  -2.5380613183   0.8741440848
F    1.8840079683  -2.0581530708   1.2749982488
O   -0.7568275735  -3.0415509576  -0.5158047830
O   -1.3074135913  -2.1235109517  -2.7805883540
O   -1.7621943899  -1.5299032070   1.7851107166
O   -2.7309048390  -3.4938624055   2.2396401771
O   -1.9056044451   0.7663175459  -2.1314459389
O    3.4264661635   4.1448144677   0.3370137049
O    3.4134165989  -0.4522162798   1.0131170320
N   -0.6274016910  -0.6076218361  -0.8640271493
N   -0.1221225718   1.6579714612  -1.0827816809
N    1.6374113311   2.8955511763  -0.3580514197
N    1.6247047025   0.5661900106   0.0012083424
C   -3.0834097866  -1.8734119397  -0.8797929502
C   -3.5140707120  -2.2046753974   0.4065804878
C   -3.9936378998  -1.5874629262  -1.8862591372
C   -4.8784389466  -2.2542294650   0.6578600672
C   -5.3512283484  -1.6093714489  -1.6074049104
C   -5.7924021671  -1.9481362412  -0.3395969751
C   -2.6159405296  -2.5047916569   1.5603258049
C   -0.9417023917   0.6028350385  -1.4146568163
C    1.0957879327   1.6914774926  -0.4525752320
C    2.8182402263   2.9556904501   0.2198262239
C    2.8185145591   0.6633214428   0.5618470583
C    3.4962437489   1.8536646312   0.7146501258
C   -0.8705361335  -1.6798107910   2.8950137968
C    2.8590047999   5.2624933954  -0.2469434876
C    2.9692840274  -1.6830777190   0.5719315629
H   -3.6612012341  -1.3594428410  -2.8877021461
H    0.1956742196  -0.6893358002  -0.2641840795
H   -5.2317629280  -2.5200511194   1.6448894971
H   -6.0587686459  -1.3777082355  -2.3908673284
H   -6.8508787886  -1.9827951439  -0.1226161426
H   -0.4402863003   2.5481862129  -1.4444381838
H    4.4745181211   1.9182194192   1.1662388641
H   -0.2846147045  -2.5933596434   2.8173724316
H   -1.4226727669  -1.6829044688   3.8338047243
H   -0.2151829657  -0.8153915772   2.8687081852
H    2.4641837019   5.0922528176  -1.2463495322
H    2.7503932324  -1.7180527577  -0.4946662629
*